2-dibenzofuran-1-yl-4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazine

C41H25N3O — CID 171607680

About 2-dibenzofuran-1-yl-4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazine (PubChem CID 171607680) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazine
• PubChem CID: 171607680
• Molecular Formula: C41H25N3O
• Molecular Weight: 575.67 g/mol
• Exact Mass: 575.20
• IUPAC Name: 2-dibenzofuran-1-yl-4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazine
• SMILES: c1ccc(-c2ccc3c(c2)cc(-c2nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n2)c2ccccc23)cc1
• InChI: InChI=1S/C41H25N3O/c1-3-12-26(13-4-1)28-22-23-30-29(24-28)25-35(32-17-8-7-16-31(30)32)41-43-39(27-14-5-2-6-15-27)42-40(44-41)34-19-11-21-37-38(34)33-18-9-10-20-36(33)45-37/h1-25H
• InChIKey: VAZGMKBPNXXGHW-UHFFFAOYSA-N
• XLogP: 10.75
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.67
LogP ≤ 5	10.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazine (CID 171607680) is 2-dibenzofuran-1-yl-4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-1-yl-4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-1-yl-4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazine is c1ccc(-c2ccc3c(c2)cc(-c2nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n2)c2ccccc23)cc1.

What is the InChIKey of 2-dibenzofuran-1-yl-4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazine?

The InChIKey is VAZGMKBPNXXGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c1-3-12-26(13-4-1)28-22-23-30-29(24-28)25-35(32-17-8-7-16-31(30)32)41-43-39(27-14-5-2-6-15-27)42-40(44-41)34-19-11-21-37-38(34)33-18-9-10-20-36(33)45-37/h1-25H.

What are the key properties of 2-dibenzofuran-1-yl-4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazine?

2-dibenzofuran-1-yl-4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazine has a molecular weight of 575.67 g/mol, XLogP of 10.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazine is sourced from PubChem (CID 171607680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).